Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033532
PROPERTIES
| NPAID | NPA033532 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin 679 |
| FORMULA | C35H49N7O7 |
| MOLECULAR WEIGHT (Da) | 679.8190 |
| ACCURATE MASS (Da) | 679.3693 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | SWEIFQQRNGTQHC-HIGLYJDASA-N |
| InChI | InChI=1S/C35H49N7O7/c1-21(2)29-33(47)38-27(18-15-23-13-16-25(43)17-14-23)34(48)42(4)22(3)30(44)39-28(20-24-10-6-5-7-11-24)31(45)37-19-9-8-12-26(32(46)41-29)40-35(36)49/h5-7,10-11,13-14,16-17,21-22,26-29,43H,8-9,12,15,18-20H2,1-4H3,(H,37,45)(H,38,47)(H,39,44)(H,41,46)(H3,36,40,49)/t22-,26+,27-,28-,29-/m0/s1 |
| SMILES | CC(C)[C@@H]1NC(=O)[C@H](NC(N)=O)CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Harms, Henrik; Kurita, Kenji L.; Pan, Li; Wahome, Paul G.; He, Haiyin; Kinghorn, A. Douglas; Carter, Guy T.; Linington, Roger G. Discovery of anabaenopeptin 679 from freshwater algal bloom material: Insights into the structure–activity relationship of anabaenopeptin protease inhibitors. Bioorganic and Medicinal Chemistry Letters 2016 26 (20) 4960-4965. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2016.09.008 | PMID | - |
